2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide

C14H16N2O3S2 — CID 111484969

IUPAC2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1(O)CCSCC1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C14H16N2O3S2/c17-12(15-9-14(18)2-5-20-6-3-14)11-8-21-13(16-11)10-1-4-19-7-10/h1,4,7-8,18H,2-3,5-6,9H2,(H,15,17)
InChIKeyXDWQAANHRBBLRJ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.39
Rot. Bonds4

About 2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide

2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 111484969) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID111484969
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1(O)CCSCC1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C14H16N2O3S2/c17-12(15-9-14(18)2-5-20-6-3-14)11-8-21-13(16-11)10-1-4-19-7-10/h1,4,7-8,18H,2-3,5-6,9H2,(H,15,17)
InChIKeyXDWQAANHRBBLRJ-UHFFFAOYSA-N
XLogP2.39
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-3-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 111596989
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484822
2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119514774
N-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
CID 119612533
N-[(4-hydroxythian-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 111486579
2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253767
N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103849544
2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119394566
2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119464645
1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide
CID 86784166
2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119538180
N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 56808469

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide (CID 111484969) is 2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1(O)CCSCC1)c1csc(-c2ccoc2)n1.
What is the InChIKey of 2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XDWQAANHRBBLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c17-12(15-9-14(18)2-5-20-6-3-14)11-8-21-13(16-11)10-1-4-19-7-10/h1,4,7-8,18H,2-3,5-6,9H2,(H,15,17).
What are the key properties of 2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111484969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).